(3S)-4-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3S)-4-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S)-4-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: (3S)-4-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S)-4-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S)-4-(4-amino-2-keto-pyrimidin-1-yl)-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C=CC(=NC3=O)N)O)C

Isomeric SMILES

CC1([C@H](C(C2=C(O1)C=CC(=C2)C#N)N3C=CC(=NC3=O)N)O)C

InChI

InChI=1S/C16H16N4O3/c1-16(2)14(21)13(20-6-5-12(18)19-15(20)22)10-7-9(8-17)3-4-11(10)23-16/h3-7,13-14,21H,1-2H3,(H2,18,19,22)/t13?,14-/m0/s1